CID 71315202

57898-71-2

Structural Information

Molecular Formula
C20H32N2O4
SMILES
CCCC(=O)C1=C(C=CC(=C1)NC(=O)CCC)OCC(CNC(C)C)O
InChI
InChI=1S/C20H32N2O4/c1-5-7-18(24)17-11-15(22-20(25)8-6-2)9-10-19(17)26-13-16(23)12-21-14(3)4/h9-11,14,16,21,23H,5-8,12-13H2,1-4H3,(H,22,25)
InChIKey
AEDUKXINWRSRLC-UHFFFAOYSA-N
Compound name
N-[3-butanoyl-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

364.2362 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.24348 192.0
[M+Na]+ 387.22542 198.0
[M+NH4]+ 382.27002 195.5
[M+K]+ 403.19936 194.1
[M-H]- 363.22892 191.5
[M+Na-2H]- 385.21087 192.6
[M]+ 364.23565 192.1
[M]- 364.23675 192.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.